(2S)-2-{[(Benzyloxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoate

Basic Information

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CAS Number

3886-08-6

Molecular Formula

C17H22NO6

Molecular Weight

337.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

85.0 to 89.0 deg-C

Boiling Point

522.6℃ at 760 mmHg

Density

1.1970

Flash Point

269.9°C

Specific Rotation

-14 º (c=2% in MeOH)

SMILES

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CC(C)(C)OC(=O)CCC(C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H23NO6/c1-17(2,3)24-14(19)10-9-13(15(20)21)18-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21)/p-1/t13-/m0/s1

InChIKey

GLMODRZPPBZPPB-ZDUSSCGKSA-M

LogP

2.4879

Topological Polar Surface Area

101.92999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

437

Safety Information

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GHS Hazard Pictograms

H315

H317

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

BP-12454
Cbz-L-Glu(otBu)-OH
Z-Glu(OtBu)-OH
5-tert-Butyl N-Cbz-L-glutamate
(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid
AS-12337
N-Carbobenzoxy-L-glutamic Acid 5-tert-Butyl Ester
Z-Glu(OtBu)-OH, >=99.0% (TLC)
5-tert-Butyl N-Carbobenzoxy-L-glutamate
SCHEMBL42877
Cbz-L-glutamic acid 5-tert-butyl ester
GLMODRZPPBZPPB-ZDUSSCGKSA-N
Z-Glu(OBut)-OH
(2S)-2-{[(BENZYLOXY)CARBONYL]AMINO}-5-(TERT-BUTOXY)-5-OXOPENTANOIC ACID
(S)-2-(((Benzyloxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoic acid
M03048
AKOS015924155
AKOS015892688
CS-W008326
Z-(L)Glu(OtBu)-OH
3886-08-6
F0001-1101
N-Cbz-L-glutamic Acid 5-tert-Butyl Ester
N-Benzyloxycarbonyl-L-glutamic acid gamma-tert-butyl ester
Cbz-(L)Glu(OtBu)-OH
(S)-2-(benzyloxycarbonylamino)-5-tert-butoxy-5-oxopentanoic acid
Z-(L)-Glu(OtBu)-OH
C1715
5-tert-Butyl N-((phenylmethoxy)carbonyl)-L-glutamate
Cbz-Glu(OBut)-OH
W-106465

MDL Number

MFCD00038274

Customs Code

2924299090

FAQ

What regulatory guidelines apply to (2S)-2-{[(Benzyloxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoate (CAS: 3886-08-6)?

The compound (2S)-2-{[(Benzyloxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoate (CAS: 3886-08-6) is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. It must be classified and labeled according to the GHS criteria. For REACH, it requires a safety data sheet (SDS) and may need to be registered if the annual tonnage threshold is exceeded. FDA and EPA may have additional requirements related to its use in pharmaceuticals and environmental releases.

Are there alternatives to (2S)-2-{[(Benzyloxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoate in synthesis?

Several alternatives to (2S)-2-{[(Benzyloxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoate exist in synthesis, such as esters, amides, and other related compounds. Common alternative reagents include benzylamine, benzyloxycarbonyl chloride, and other protecting groups. These alternatives can provide similar functional groups but with different stability and reactivity profiles, allowing for more versatile synthetic strategies.

What is the market or research trend for (2S)-2-{[(Benzyloxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoate (CAS: 3886-08-6)?

The market and research trend for (2S)-2-{[(Benzyloxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoate (CAS: 3886-08-6) is focused on its use in pharmaceutical and biotechnological applications. There is increasing interest in exploring its potential as a building block for drug development and in academic research. Market trends suggest a growing demand for this compound as it is integrated into more complex chemical structures and therapeutic agents.

How should waste containing (2S)-2-{[(Benzyloxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoate (CAS: 3886-08-6) be handled?

Waste containing (2S)-2-{[(Benzyloxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoate (CAS: 3886-08-6) should be collected in appropriate containers and stored separately to prevent contamination. Incineration is a common method for disposal, following local waste management guidelines. Professional waste disposal companies can handle this waste safely, ensuring environmental protection. It is crucial to follow local regulations and guidelines for the disposal of hazardous waste.